ChemSpider 2D Image | trans-1-[(3R)-1-(4-Methoxybenzyl)-2,5-dioxo-3-pyrrolidinyl]-4-[(3S)-1-(4-methoxybenzyl)-2,5-dioxo-3-pyrrolidinyl]piperazinediium | C28H34N4O6

trans-1-[(3R)-1-(4-Methoxybenzyl)-2,5-dioxo-3-pyrrolidinyl]-4-[(3S)-1-(4-methoxybenzyl)-2,5-dioxo-3-pyrrolidinyl]piperazinediium

  • Molecular FormulaC28H34N4O6
  • Average mass522.592 Da
  • Monoisotopic mass522.246765 Da
  • ChemSpider ID7781181

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Piperazinium, 1-[(3R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-3-pyrrolidinyl]-4-[(3S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-3-pyrrolidinyl]-, trans- [ACD/Index Name]
trans-1-[(3R)-1-(4-Methoxybenzyl)-2,5-dioxo-3-pyrrolidinyl]-4-[(3S)-1-(4-methoxybenzyl)-2,5-dioxo-3-pyrrolidinyl]piperazindiium [German] [ACD/IUPAC Name]
trans-1-[(3R)-1-(4-Methoxybenzyl)-2,5-dioxo-3-pyrrolidinyl]-4-[(3S)-1-(4-methoxybenzyl)-2,5-dioxo-3-pyrrolidinyl]piperazinediium [ACD/IUPAC Name]
trans-1-[(3R)-1-(4-Méthoxybenzyl)-2,5-dioxo-3-pyrrolidinyl]-4-[(3S)-1-(4-méthoxybenzyl)-2,5-dioxo-3-pyrrolidinyl]pipérazinediium [French] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC08386093 [DBID]
ZINC08386098 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 746.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.4±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.59
ACD/KOC (pH 5.5): 117.15
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.96
ACD/KOC (pH 7.4): 124.83
Polar Surface Area: 102 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement